(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-chloromethyl ester

Base Information

Chemical Name:(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-chloromethyl ester
CAS No.:1323943-86-7
Molecular Formula:C₃₀H₃₃Cl₂F₂NO₃S
Molecular Weight:596.566
Hs Code.:

(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-chloromethyl ester

Synonyms:(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-chloromethyl ester

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Chemical Property of (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-chloromethyl ester

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Technology Process of (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-chloromethyl ester

There total 9 articles about (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-chloromethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 24.3%

: 74-97-5
chlorobromomethane

: 1323942-39-7
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carboxylic acid

: 1323943-86-7
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-chloromethyl ester

Guidance literature:: (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carboxylic acid; With 4-methyl-morpholine; HATU; In N,N-dimethyl-formamide; at 70 ℃; for 4h;

With sodium hydrogen sulfide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

chlorobromomethane; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

Reference yield:

: 74-97-5
chlorobromomethane

: C₃₄H₃₄ClF₂N₅O₄

: 1323943-86-7
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-chloromethyl ester

Guidance literature:: C₃₄H₃₄ClF₂N₅O₄; With sodium hydrogensulfide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

chlorobromomethane; In N,N-dimethyl-formamide; at 20 ℃; for 48h;
DOI:10.1021/acs.jmedchem.7b01873

Reference yield:

: 1323941-15-6
acetic acid 2-((4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-benzyl-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-aza-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl ester

: 1323943-86-7
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3-chloro-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-chloromethyl ester

Guidance literature:: Multi-step reaction with 6 steps

1.1: sodium hydrogencarbonate / acetonitrile / 2 h / 50 °C

2.1: hydrogenchloride / 1,4-dioxane / 2 h / 20 °C

2.2: 1 h / 40 °C

3.1: triethylamine / dichloromethane / 40 °C

4.1: sodium hydroxide / water; 1,4-dioxane / 24 h / 20 °C

5.1: 4-methyl-morpholine / N,N-dimethyl-formamide / 3 h / 70 °C

6.1: sodium hydrogensulfide / N,N-dimethyl-formamide / 3 h / 20 °C

6.2: 48 h / 20 °C

With 4-methyl-morpholine; hydrogenchloride; sodium hydrogensulfide; sodium hydrogencarbonate; triethylamine; sodium hydroxide; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/acs.jmedchem.7b01873